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Home > Bromides > 1245648-96-7
1245648-96-7 | Pyridine, 2-bromo-5-[(1-methylethyl)sulfonyl]-
CAS No: 1245648-96-7 Catalog No: AG000MC7 MDL No:MFCD14706805
Product Description
Catalog Number:
AG000MC7
Chemical Name:
Pyridine, 2-bromo-5-[(1-methylethyl)sulfonyl]-
CAS Number:
1245648-96-7
Molecular Formula:
C8H10BrNO2S
Molecular Weight:
264.1395
MDL Number:
MFCD14706805
IUPAC Name:
2-bromo-5-propan-2-ylsulfonylpyridine
InChI:
InChI=1S/C8H10BrNO2S/c1-6(2)13(11,12)7-3-4-8(9)10-5-7/h3-6H,1-2H3
InChI Key:
MEABPHLOPKUYNO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cn1)S(=O)(=O)C(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.962g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.137g/mol
Monoisotopic Mass:
262.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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